COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551351
Chemical Name: (1S,5R)-9-nitro-3-[(5-phenyl-1H-pyrazol-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=C(c1n[nH]c(c1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]

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Molecular Weight: 405.41
Empirical Formula: C21H19N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.105
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 5

     

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